Search results for "boundary"

showing 10 items of 1626 documents

Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity

2016

The electron density distribution of two substituted norbornene derivatives (cis-5-norbornene-endo-2,3-dicarboxylic anhydride (1) and 7-oxabicylo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic anhydride (2) has been determined from low-temperature (20 K) X-ray diffraction data and from DFT calculations with periodic boundary conditions. Topological analysis of the electron density is discussed with respect to exo-selective additions, the partial retro-Diels-Alder (rDA) character of the ground state, and intermolecular interaction energies.

ImaginationDiffractionElectron densityChemical substancemedia_common.quotation_subject010402 general chemistry010403 inorganic & nuclear chemistryTopology01 natural sciences0104 chemical scienceschemistry.chemical_compoundchemistryComputational chemistryPeriodic boundary conditionsReactivity (chemistry)Physical and Theoretical ChemistryGround stateNorbornenemedia_commonJournal of Physical Chemistry A
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Structure and Physical Properties of Na1/2Bi1/2TiO3-CdTiO3Solid Solutions

2011

Behaviour of ferroelectric properties in Na1/2Bi1/2TiO3-CdTiO3 solid solutions correlates with dependence of lattice symmetry versus concentration of constituents. However, some overlapping is observed in concentration range close to the morphotropic phase boundary. The properties of dielectric permittivity, characteristic for relaxor ferroelectrics, diminish, if concentration of CdTiO3 increases, but it is not influenced by the change of crystallographic symmetry. The electromechanical properties are mostly pronounced in the range of cubic-tetragonal morphotropic phase boundary.

ImaginationPhase boundaryRange (particle radiation)Crystallographic point groupMaterials scienceChemical substanceCondensed matter physicsmedia_common.quotation_subjectCondensed Matter PhysicsFerroelectricityElectronic Optical and Magnetic MaterialsScience technology and societymedia_commonSolid solutionFerroelectrics
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Modeling wave propagation in elastic solids via high-order accurate implicit-mesh discontinuous Galerkin methods

2022

A high-order accurate implicit-mesh discontinuous Galerkin framework for wave propagation in single-phase and bi-phase solids is presented. The framework belongs to the embedded-boundary techniques and its novelty regards the spatial discretization, which enables boundary and interface conditions to be enforced with high-order accuracy on curved embedded geometries. High-order accuracy is achieved via high-order quadrature rules for implicitly-defined domains and boundaries, whilst a cell-merging strategy addresses the presence of small cut cells. The framework is used to discretize the governing equations of elastodynamics, written using a first-order hyperbolic momentum-strain formulation…

Implicitly-defined meshesMechanical EngineeringApplied MathematicsMathematicsofComputing_NUMERICALANALYSISComputational MechanicsDiscontinuous Galerkin methodsGeneral Physics and AstronomyImplicitly-defined mesheNumerical Analysis (math.NA)Mathematical SciencesComputer Science ApplicationsHigh-order accuracyEngineeringMechanics of MaterialsEmbedded-boundary methodDiscontinuous Galerkin methodFOS: MathematicsElastodynamicsEmbedded-boundary methodsMathematics - Numerical Analysis
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Continuous spectrum for a two phase eigenvalue problem with an indefinite and unbounded potential

2020

Abstract We consider a two phase eigenvalue problem driven by the ( p , q ) -Laplacian plus an indefinite and unbounded potential, and Robin boundary condition. Using a modification of the Nehari manifold method, we show that there exists a nontrivial open interval I ⊆ R such that every λ ∈ I is an eigenvalue with positive eigenfunctions. When we impose additional regularity conditions on the potential function and the boundary coefficient, we show that we have smooth eigenfunctions.

Indefinite unbounded potentialPure mathematicsNehari manifoldApplied Mathematics010102 general mathematicsContinuous spectrumBoundary (topology)Function (mathematics)Robin boundary conditionMathematics::Spectral TheoryEigenfunction01 natural sciences(pq)-LaplacianRobin boundary condition010101 applied mathematicsSettore MAT/05 - Analisi MatematicaLagrange multiplier rule0101 mathematicsSobolev embedding theoremNehari manifoldLaplace operatorAnalysisEigenvalues and eigenvectorsMathematicsJournal of Differential Equations
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Inflating an inhomogeneous universe

2014

While cosmological inflation can erase primordial inhomogeneities, it is possible that inflation may not begin in a significantly inhomogeneous universe. This issue is particularly pressing in multifield scenarios, where even the homogeneous dynamics may depend sensitively on the initial configuration. This paper presents an initial survey of the onset of inflation in multifield models, via qualitative lattice-based simulations that do not include local gravitational backreaction. Using hybrid inflation as a test model, our results suggest that small subhorizon inhomogeneities do play a key role in determining whether inflation begins in multifield scenarios. Interestingly, some configurati…

Inflation (cosmology)GravitationPhysicsGeneral Relativity and Quantum CosmologyCosmology and Nongalactic Astrophysics (astro-ph.CO)HomogeneousFOS: Physical sciencesAstronomy and AstrophysicsAstrophysics::Cosmology and Extragalactic AstrophysicsBoundary value problemStatistical physicsAstrophysics - Cosmology and Nongalactic AstrophysicsJournal of Cosmology and Astroparticle Physics
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Mapping properties of weakly singular periodic volume potentials in Roumieu classes

2020

The analysis of the dependence of integral operators on perturbations plays an important role in the study of inverse problems and of perturbed boundary value problems. In this paper, we focus on the mapping properties of the volume potentials with weakly singular periodic kernels. Our main result is to prove that the map which takes a density function and a periodic kernel to a (suitable restriction of the) volume potential is bilinear and continuous with values in a Roumieu class of analytic functions. This result extends to the periodic case of some previous results obtained by the authors for nonperiodic potentials, and it is motivated by the study of perturbation problems for the solut…

Integral operatorsNumerical AnalysisIntegral operators; Periodic kernels; Periodic volume potentials; Roumieu classes; Special nonlinear operatorsDifferential equationApplied Mathematics010102 general mathematicsMathematical analysisSpecial nonlinear operatorsBilinear interpolationPerturbation (astronomy)Probability density functionInverse problem01 natural sciences31B10010101 applied mathematicsSettore MAT/05 - Analisi MatematicaKernel (statistics)Boundary value problemPeriodic volume potentials0101 mathematics47H30Roumieu classesPeriodic kernelsAnalytic functionMathematics
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A novel micro-mechanical model for polycrystalline inter-granular and trans-granular fracture

2017

In this work, a novel grain boundary formulation for inter-and trans-granular cracking of polycrystalline materials is presented. The formulation is based on the use of boundary integral equations for anisotropic solids and has the advantage of expressing the considered problem in terms of grain boundary variables only. Inter-granular cracking occurs at the grain boundaries whereas trans-granular cracking is assumed to take place along specific cleavage planes, whose orientation depends on the crystallographic orientation of the grains. The evolution of inter-and trans-granular cracks is then governed by suitably defined cohesive laws, whose parameters characterize the behavior of the two f…

Inter-granular crackingMaterials scienceMechanical EngineeringMicromechanics02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesStrength of materials010101 applied mathematicsPolycrystalline materialMechanics of MaterialsFracture (geology)Boundary element methodGeneral Materials ScienceMechanics of MaterialCrystalliteMaterials Science (all)0101 mathematicsComposite material0210 nano-technologyBoundary element methodMicromechanicTrans-granular cracking
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A SIMPLE PARTICLE MODEL FOR A SYSTEM OF COUPLED EQUATIONS WITH ABSORBING COLLISION TERM

2011

We study a particle model for a simple system of partial differential equations describing, in dimension $d\geq 2$, a two component mixture where light particles move in a medium of absorbing, fixed obstacles; the system consists in a transport and a reaction equation coupled through pure absorption collision terms. We consider a particle system where the obstacles, of radius $\var$, become inactive at a rate related to the number of light particles travelling in their range of influence at a given time and the light particles are instantaneously absorbed at the first time they meet the physical boundary of an obstacle; elements belonging to the same species do not interact among themselves…

Interacting particle systemsPhotonlarge numbers limitDimension (graph theory)FOS: Physical sciencesBoundary (topology)01 natural sciences010104 statistics & probabilityInteracting particle systems large numbers limit absorptionFOS: Mathematics[MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP]Absorption (logic)0101 mathematics[PHYS.COND.CM-SM]Physics [physics]/Condensed Matter [cond-mat]/Statistical Mechanics [cond-mat.stat-mech]Condensed Matter - Statistical MechanicsPhysicsParticle systemNumerical AnalysisRange (particle radiation)Partial differential equationStatistical Mechanics (cond-mat.stat-mech)Probability (math.PR)010102 general mathematicsMathematical analysis[MATH.MATH-PR]Mathematics [math]/Probability [math.PR]Modeling and SimulationProduct measure82C22 82C21 60F05 60K35absorptionMathematics - Probability
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Thermodynamics-based gradient plasticity theories with an application to interface models

2008

AbstractIn the framework of small deformations, the so-called residual-based gradient plasticity theory is reconsidered and improved. Using the notion of moving geometrically necessary dislocations (GNDs), suitable micromechanics interpretations are heuristically given for the higher order boundary conditions and the long distance particle interactions. Also, a comparison is made between this theory and the analogous virtual work principle (VWP)-based one, whereby their respective conceptual and methodological features are pointed out. The conditions under which the two theories lead to a same constitutive model are investigated, showing that, correspondingly, a certain indeterminacy exhibi…

Interface (Java)Mechanical EngineeringApplied MathematicsConstitutive equationDislocationsMicromechanicsResidualCondensed Matter PhysicsGradient plasticityIndeterminacy (literature)Nonlocal continuum thermodynamicsClassical mechanicsMaterials Science(all)Mechanics of MaterialsModeling and SimulationModelling and SimulationGeneral Materials SciencePoint (geometry)Virtual workBoundary value problemStatistical physicsMathematicsInternational Journal of Solids and Structures
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Partial data inverse problems for Maxwell equations via Carleman estimates

2015

In this article we consider an inverse boundary value problem for the time-harmonic Maxwell equations. We show that the electromagnetic material parameters are determined by boundary measurements where part of the boundary data is measured on a possibly very small set. This is an extension of earlier scalar results of Bukhgeim-Uhlmann and Kenig-Sj\"ostrand-Uhlmann to the Maxwell system. The main contribution is to show that the Carleman estimate approach to scalar partial data inverse problems introduced in those works can be carried over to the Maxwell system.

Inverse problemsELECTRODYNAMICSINFORMATIONadmissible manifoldsWEIGHTSMathematics::Analysis of PDEsBoundary (topology)InverseBOUNDARY-VALUE PROBLEMCALDERON PROBLEMpartial data01 natural sciencesMATERIAL PARAMETERSinversio-ongelmatsymbols.namesakeMathematics - Analysis of PDEsFOS: Mathematics35R30 35Q61111 MathematicsMaxwellin yhtälötBoundary value problemUniqueness0101 mathematicsPartial dataMathematical PhysicsMathematicsAdmissible manifoldsApplied Mathematicsta111010102 general mathematicsMathematical analysisScalar (physics)Inverse problemCarleman estimatesSmall set010101 applied mathematicsUNIQUENESSMaxwell's equationsMaxwell equationsLOCAL DATAsymbolsAnalysisAnalysis of PDEs (math.AP)
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